2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid

C8H9F3N2O2S — CID 62754676

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCN(CC(F)(F)F)c1ncc(C(=O)O)s1
InChIInChI=1S/C8H9F3N2O2S/c1-2-13(4-8(9,10)11)7-12-3-5(16-7)6(14)15/h3H,2,4H2,1H3,(H,14,15)
InChIKeyZWRGMPPFIBZKSU-UHFFFAOYSA-N
MW254.23 g/mol
LogP2.23
Rot. Bonds4

About 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid

2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 62754676) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID62754676
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCN(CC(F)(F)F)c1ncc(C(=O)O)s1
InChIInChI=1S/C8H9F3N2O2S/c1-2-13(4-8(9,10)11)7-12-3-5(16-7)6(14)15/h3H,2,4H2,1H3,(H,14,15)
InChIKeyZWRGMPPFIBZKSU-UHFFFAOYSA-N
XLogP2.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (CID 62754676) is 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is CCN(CC(F)(F)F)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZWRGMPPFIBZKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-2-13(4-8(9,10)11)7-12-3-5(16-7)6(14)15/h3H,2,4H2,1H3,(H,14,15).
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 254.23 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62754676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).